1-cyclohexyl-3,5-bis[4-(dodecylsulfanylmethyl)phenyl]-1,3,5-triazinane

Systemtic Name: 1-cyclohexyl-3,5-bis[4-(dodecylsulfanylmethyl)phenyl]-1,3,5-triazinane Openeye Name: 1-cyclohexyl-3,5-bis[4-(dodecylsulfanylmethyl)phenyl]-1,3,5-triazinane CAS Name: 1-cyclohexyl-3,5-bis[4-[(dodecylthio)methyl]phenyl]-1,3,5-triazinane IUPAC Name: 1-cyclohexyl-3,5-bis[4-(dodecylsulfanylmethyl)phenyl]-1,3,5-triazinane Traditional Name: 1-cyclohexyl-3,5-bis[4-[(laurylthio)methyl]phenyl]-1,3,5-triazinane Formula: C47H79N3S2 MolecularWeight: 750.28026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC1=CC=C(C=C1)N2CN(CN(C2)C3=CC=C(C=C3)CSCCCCCCCCCCCC)C4CCCCC4

Isomeric SMILES

CCCCCCCCCCCCSCC1=CC=C(C=C1)N2CN(CN(C2)C3=CC=C(C=C3)CSCCCCCCCCCCCC)C4CCCCC4

InChI

InChI=1S/C47H79N3S2/c1-3-5-7-9-11-13-15-17-19-24-36-51-38-43-28-32-46(33-29-43)49-40-48(45-26-22-21-23-27-45)41-50(42-49)47-34-30-44(31-35-47)39-52-37-25-20-18-16-14-12-10-8-6-4-2/h28-35,45H,3-27,36-42H2,1-2H3